Search results
Results from the WOW.Com Content Network
Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would likely make it an orally active drug in humans.
Christopher A. Lipinski is a medicinal chemist who is working at Pfizer, Inc. [1] He is known for his "rule of five" , an algorithm that predicts drug compounds that are likely to have oral activity. [ 1 ]
The Supercomputing Facility for Bioinformatics and Computational Biology, (SCFBio), IIT Delhi, was established in July 2002 with funding from Department of Biotechnology under the guidance of Prof. B. Jayaram. It aims at developing novel scientific methods and new software for genome analysis, protein structure prediction, and in silico drug ...
Created Date: 8/30/2012 4:52:52 PM
[citation needed] The great majority of drugs on the market have molecular weights between 200 and 600 daltons, and particularly <500; [3] [4] they belong to the group of small molecules. A traditional method to evaluate druglikeness is to check compliance of Lipinski's rule of five , which covers the numbers of hydrophilic groups, molecular ...
This is also evident in Table I, where he lists Glycine as having 3 H-bond donors, which fits with the three H's (either NH2 + COOH, or NH3+ + COO-). Famotidine is another example with 8 donors in Lipinski's table. Mhc 13:45, 14 May 2014 (UTC) Thanks for your note. Yes, your analysis does appear to be correct.
There are no rigorous methods for determining the precise size of this space. The assumptions [3] used for estimating the number of potential pharmacologically active molecules, however, use the Lipinski rules, in particular the molecular weight limit of 500. The estimate also restricts the chemical elements used to be Carbon, Hydrogen, Oxygen ...
It also contains 237 million bioactivity test results from 1.25 million biological assays, covering >10,000 target protein sequences. [ 4 ] As of 2020, with data integration from over 100 new sources, PubChem contains more than 293 million depositor-provided substance descriptions, 111 million unique chemical structures, and 271 million ...